1-Methyl-4-phenylpyridinium
Grundinformationen
- CAS
48134-75-4- Standard-SMILES
C[n+]1ccc(-c2ccccc2)cc1- InChIKey
FMGYKKMPNATWHP-UHFFFAOYSA-N- Summenformel
- C12H12N+
- Durchschnittliche Molmasse
- 170,23 g/mol
- Monoisotopische Masse
- 170,09697439
Überblick
N-methyl-4-phenylpyridinium is a pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position. It has a role as a herbicide, a neurotoxin, an apoptosis inducer and a human xenobiotic metabolite.
Namen und Bezeichner
- Bevorzugter Name
- 1-Methyl-4-phenylpyridinium
- IUPAC
- 1-methyl-4-phenylpyridin-1-ium
- Englischer Name
- 1-methyl-4-phenyl-pyridine
- Summenformel
- C12H12N+
- Molmasse
- 170.23
Namen und Synonyme
Cyperquat1-METHYL-4-PHENYLPYRIDINIUMN-Methyl-4-phenylpyridine48134-75-4N-Methyl-4-phenylpyridinium ionN-Methyl-4-phenylpyridiniumPyridinium, 1-methyl-4-phenyl-R865A5OY8J1-Methyl-4-phenylpyridinium Ion1 Methyl 4 phenylpyridine1 Methyl 4 PhenylpyridiniumCHEBI:641
Weitere Namen anzeigen
1-methyl-4-phenyl-pyridine1-Methyl-4-phenylpyridinium chloride1-methyl-4-phenylpyridin-1-ium chloride
DTXSID4058106RefChem:76329N Methyl 4 phenylpyridineDTXCID70318741 Methyl 4 phenylpyridinium Ion1 Methyl 4 phenylpyridinium Chloride1-Methyl-4-phenylpyridineMPP+
Datenbank-Bezeichner
- CAS
48134-75-4- PubChem CID
- 39484
- DTXSID
DTXSID4058106- ChEMBL
CHEMBL311617- ChEBI
CHEBI:641- UNII
- R865A5OY8J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 3,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 1
- Komplexität
- 141
Physikochemische Eigenschaften
- EPA chemische Informationen
- Cyperquat (48134-75-4)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Toxizität
- The proximal toxicant formed when MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) is metabolized by monoamine oxidase B. Unlike MPTP, this compound will not pass the blood-brain barrier, but it is a substrate for the dopamine neurotransporter, and thus is able to enter dopamine neurons. It is believed to destroy dopamine neurons by mechanisms involving both free radical production and inhibition of mitochondrial electron transport.
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites1-methyl-4-phenylpyridin-1-ium is a known human metabolite of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine.
MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
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Ergänzende Hinweise
DefinitionChEBI: A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.
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